6-[3-[[(2,6-dimethylphenyl)methylamino]methyl]phenyl]sulfanyl-3-(oxan-4-ylmethyl)quinolin-2-amine

Systemtic Name: 6-[3-[[(2,6-dimethylphenyl)methylamino]methyl]phenyl]sulfanyl-3-(oxan-4-ylmethyl)quinolin-2-amine Openeye Name: 6-[3-[[(2,6-dimethylphenyl)methylamino]methyl]phenyl]sulfanyl-3-(tetrahydropyran-4-ylmethyl)quinolin-2-amine CAS Name: 6-[[3-[[(2,6-dimethylphenyl)methylamino]methyl]phenyl]thio]-3-(4-oxanylmethyl)-2-quinolinamine IUPAC Name: 6-[3-[[(2,6-dimethylphenyl)methylamino]methyl]phenyl]sulfanyl-3-(oxan-4-ylmethyl)quinolin-2-amine Traditional Name: [3-[[2-amino-3-(tetrahydropyran-4-ylmethyl)-6-quinolyl]thio]benzyl]-(2,6-dimethylbenzyl)amine Formula: C31H35N3OS MolecularWeight: 497.6941

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)CNCC2=CC(=CC=C2)SC3=CC4=CC(=C(N=C4C=C3)N)CC5CCOCC5

Isomeric SMILES

CC1=C(C(=CC=C1)C)CNCC2=CC(=CC=C2)SC3=CC4=CC(=C(N=C4C=C3)N)CC5CCOCC5

InChI

InChI=1S/C31H35N3OS/c1-21-5-3-6-22(2)29(21)20-33-19-24-7-4-8-27(16-24)36-28-9-10-30-25(18-28)17-26(31(32)34-30)15-23-11-13-35-14-12-23/h3-10,16-18,23,33H,11-15,19-20H2,1-2H3,(H2,32,34)